1-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)sulfonyltetrazole

C15H13FN4O2S — CID 11404795

IUPAC1-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)sulfonyltetrazole
SMILESCc1ccc(S(=O)(=O)c2nnnn2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C15H13FN4O2S/c1-11-2-8-14(9-3-11)23(21,22)15-17-18-19-20(15)10-12-4-6-13(16)7-5-12/h2-9H,10H2,1H3
InChIKeyIMRWFXQHTARJFX-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.00
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)sulfonyltetrazole

1-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)sulfonyltetrazole (PubChem CID 11404795) has the molecular formula C15H13FN4O2S and a molecular weight of 332.36 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)sulfonyltetrazole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)sulfonyltetrazole
PubChem CID11404795
Molecular FormulaC15H13FN4O2S
Molecular Weight332.36 g/mol
Exact Mass332.07
IUPAC Name1-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)sulfonyltetrazole
SMILESCc1ccc(S(=O)(=O)c2nnnn2Cc2ccc(F)cc2)cc1
InChIInChI=1S/C15H13FN4O2S/c1-11-2-8-14(9-3-11)23(21,22)15-17-18-19-20(15)10-12-4-6-13(16)7-5-12/h2-9H,10H2,1H3
InChIKeyIMRWFXQHTARJFX-UHFFFAOYSA-N
XLogP2.00
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)sulfonyltetrazole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)sulfonyltetrazole (CID 11404795) is 1-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)sulfonyltetrazole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)sulfonyltetrazole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)sulfonyltetrazole is Cc1ccc(S(=O)(=O)c2nnnn2Cc2ccc(F)cc2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)sulfonyltetrazole?
The InChIKey is IMRWFXQHTARJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2S/c1-11-2-8-14(9-3-11)23(21,22)15-17-18-19-20(15)10-12-4-6-13(16)7-5-12/h2-9H,10H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)sulfonyltetrazole?
1-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)sulfonyltetrazole has a molecular weight of 332.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)sulfonyltetrazole is sourced from PubChem (CID 11404795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).